aiida.orm.nodes.process package¶
Module with Node sub classes for processes.
-
class
aiida.orm.nodes.process.
CalculationNode
(backend=None, user=None, computer=None, **kwargs)[source]¶ Bases:
aiida.orm.nodes.process.process.ProcessNode
Base class for all nodes representing the execution of a calculation process.
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.orm.nodes.process.calculation.calculation'¶
-
_abc_impl
= <_abc_data object>¶
-
_cachable
= True¶
-
_logger
= <Logger aiida.orm.nodes.process.calculation.calculation.CalculationNode (REPORT)>¶
-
_plugin_type_string
= 'process.calculation.calculation.CalculationNode.'¶
-
_query_type_string
= 'process.calculation.calculation.'¶
-
_storable
= True¶
-
_unstorable_message
= 'storing for this node has been disabled'¶
-
property
inputs
¶ Return an instance of NodeLinksManager to manage incoming INPUT_CALC links
The returned Manager allows you to easily explore the nodes connected to this node via an incoming INPUT_CALC link. The incoming nodes are reachable by their link labels which are attributes of the manager.
- Returns
NodeLinksManager
-
property
outputs
¶ Return an instance of NodeLinksManager to manage outgoing CREATE links
The returned Manager allows you to easily explore the nodes connected to this node via an outgoing CREATE link. The outgoing nodes are reachable by their link labels which are attributes of the manager.
- Returns
NodeLinksManager
-
-
class
aiida.orm.nodes.process.
CalcFunctionNode
(backend=None, user=None, computer=None, **kwargs)[source]¶ Bases:
aiida.orm.utils.mixins.FunctionCalculationMixin
,aiida.orm.nodes.process.calculation.calculation.CalculationNode
ORM class for all nodes representing the execution of a calcfunction.
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.orm.nodes.process.calculation.calcfunction'¶
-
_abc_impl
= <_abc_data object>¶
-
_logger
= <Logger aiida.orm.nodes.process.calculation.calcfunction.CalcFunctionNode (REPORT)>¶
-
_plugin_type_string
= 'process.calculation.calcfunction.CalcFunctionNode.'¶
-
_query_type_string
= 'process.calculation.calcfunction.'¶
-
validate_outgoing
(target, link_type, link_label)[source]¶ Validate adding a link of the given type from ourself to a given node.
A calcfunction cannot return Data, so if we receive an outgoing link to a stored Data node, that means the user created a Data node within our function body and stored it themselves or they are returning an input node. The latter use case is reserved for @workfunctions, as they can have RETURN links.
- Parameters
target – the node to which the link is going
link_type – the link type
link_label – the link label
- Raises
TypeError – if target is not a Node instance or link_type is not a LinkType enum
ValueError – if the proposed link is invalid
-
-
class
aiida.orm.nodes.process.
CalcJobNode
(backend=None, user=None, computer=None, **kwargs)[source]¶ Bases:
aiida.orm.nodes.process.calculation.calculation.CalculationNode
ORM class for all nodes representing the execution of a CalcJob.
-
CALC_JOB_STATE_KEY
= 'state'¶
-
REMOTE_WORKDIR_KEY
= 'remote_workdir'¶
-
RETRIEVE_LIST_KEY
= 'retrieve_list'¶
-
RETRIEVE_SINGLE_FILE_LIST_KEY
= 'retrieve_singlefile_list'¶
-
RETRIEVE_TEMPORARY_LIST_KEY
= 'retrieve_temporary_list'¶
-
SCHEDULER_DETAILED_JOB_INFO_KEY
= 'detailed_job_info'¶
-
SCHEDULER_JOB_ID_KEY
= 'job_id'¶
-
SCHEDULER_LAST_CHECK_TIME_KEY
= 'scheduler_lastchecktime'¶
-
SCHEDULER_LAST_JOB_INFO_KEY
= 'last_job_info'¶
-
SCHEDULER_STATE_KEY
= 'scheduler_state'¶
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.orm.nodes.process.calculation.calcjob'¶
-
_abc_impl
= <_abc_data object>¶
-
_get_objects_to_hash
()[source]¶ Return a list of objects which should be included in the hash.
This method is purposefully overridden from the base Node class, because we do not want to include the repository folder in the hash. The reason is that the hash of this node is computed in the store method, at which point the input files that will be stored in the repository have not yet been generated. Including these anyway in the computation of the hash would mean that the hash of the node would change as soon as the process has started and the input files have been written to the repository.
-
_hash_ignored_attributes
= ('queue_name', 'account', 'qos', 'priority', 'max_wallclock_seconds', 'max_memory_kb')¶
-
_logger
= <Logger aiida.orm.nodes.process.calculation.calcjob.CalcJobNode (REPORT)>¶
-
_plugin_type_string
= 'process.calculation.calcjob.CalcJobNode.'¶
-
_query_type_string
= 'process.calculation.calcjob.'¶
-
property
_raw_input_folder
¶ Get the input folder object.
- Returns
the input folder object.
- Raise
NotExistent: if the raw folder hasn’t been created yet
-
_repository_base_path
= 'raw_input'¶
-
_tools
= None¶
-
_updatable_attributes
= ('sealed', 'paused', 'checkpoints', 'exception', 'exit_message', 'exit_status', 'process_label', 'process_state', 'process_status', 'state', 'remote_workdir', 'retrieve_list', 'retrieve_temporary_list', 'retrieve_singlefile_list', 'job_id', 'scheduler_state', 'scheduler_lastchecktime', 'last_job_info', 'detailed_job_info')¶
-
static
_validate_retrieval_directive
(directives)[source]¶ Validate a list or tuple of file retrieval directives.
- Parameters
directives – a list or tuple of file retrieveal directives
- Raises
ValueError – if the format of the directives is invalid
-
get_authinfo
()[source]¶ Return the AuthInfo that is configured for the Computer set for this node.
- Returns
AuthInfo
-
get_builder_restart
()[source]¶ Return a ProcessBuilder that is ready to relaunch the same CalcJob that created this node.
The process class will be set based on the process_type of this node and the inputs of the builder will be prepopulated with the inputs registered for this node. This functionality is very useful if a process has completed and you want to relaunch it with slightly different inputs.
In addition to prepopulating the input nodes, which is implemented by the base ProcessNode class, here we also add the options that were passed in the metadata input of the CalcJob process.
- Returns
~aiida.engine.processes.builder.ProcessBuilder instance
-
get_detailed_job_info
()[source]¶ Return the detailed job info dictionary.
- Returns
the dictionary with detailed job info if defined or None
-
get_job_id
()[source]¶ Return job id that was assigned to the calculation by the scheduler.
- Returns
the string representation of the scheduler job id
-
get_last_job_info
()[source]¶ Return the last information asked to the scheduler about the status of the job.
- Returns
a JobInfo object (that closely resembles a dictionary) or None.
-
get_option
(name)[source]¶ Retun the value of an option that was set for this CalcJobNode
- Parameters
name – the option name
- Returns
the option value or None
- Raises
ValueError for unknown option
-
get_options
()[source]¶ Return the dictionary of options set for this CalcJobNode
- Returns
dictionary of the options and their values
-
get_parser_class
()[source]¶ Return the output parser object for this calculation or None if no parser is set.
- Returns
a Parser class.
- Raises
aiida.common.exceptions.EntryPointError – if the parser entry point can not be resolved.
-
get_remote_workdir
()[source]¶ Return the path to the remote (on cluster) scratch folder of the calculation.
- Returns
a string with the remote path
-
get_retrieve_list
()[source]¶ Return the list of files/directories to be retrieved on the cluster after the calculation has completed.
- Returns
a list of file directives
-
get_retrieve_singlefile_list
()[source]¶ Return the list of files to be retrieved on the cluster after the calculation has completed.
- Returns
list of single file retrieval directives
Deprecated since version 1.0.0: Will be removed in v2.0.0, use
aiida.orm.nodes.process.calculation.calcjob.CalcJobNode.get_retrieve_temporary_list()
instead.
-
get_retrieve_temporary_list
()[source]¶ Return list of files to be retrieved from the cluster which will be available during parsing.
- Returns
a list of file directives
-
get_retrieved_node
()[source]¶ Return the retrieved data folder.
- Returns
the retrieved FolderData node or None if not found
-
get_scheduler_lastchecktime
()[source]¶ Return the time of the last update of the scheduler state by the daemon or None if it was never set.
- Returns
a datetime object or None
-
get_scheduler_state
()[source]¶ Return the status of the calculation according to the cluster scheduler.
- Returns
a JobState enum instance.
-
get_scheduler_stderr
()[source]¶ Return the scheduler stdout output if the calculation has finished and been retrieved, None otherwise.
- Returns
scheduler stdout output or None
-
get_scheduler_stdout
()[source]¶ Return the scheduler stderr output if the calculation has finished and been retrieved, None otherwise.
- Returns
scheduler stderr output or None
-
get_state
()[source]¶ Return the calculation job active sub state.
The calculation job state serves to give more granular state information to CalcJobs, in addition to the generic process state, while the calculation job is active. The state can take values from the enumeration defined in aiida.common.datastructures.CalcJobState and can be used to query for calculation jobs in specific active states.
- Returns
instance of aiida.common.datastructures.CalcJobState or None if invalid value, or not set
-
get_transport
()[source]¶ Return the transport for this calculation.
- Returns
Transport configured with the AuthInfo associated to the computer of this node
-
property
link_label_retrieved
¶ Return the link label used for the retrieved FolderData node.
-
property
res
¶ To be used to get direct access to the parsed parameters.
- Returns
an instance of the CalcJobResultManager.
- Note
a practical example on how it is meant to be used: let’s say that there is a key ‘energy’ in the dictionary of the parsed results which contains a list of floats. The command calc.res.energy will return such a list.
-
set_detailed_job_info
(detailed_job_info)[source]¶ Set the detailed job info dictionary.
- Parameters
detailed_job_info – a dictionary with metadata with the accounting of a completed job
-
set_job_id
(job_id)[source]¶ Set the job id that was assigned to the calculation by the scheduler.
Note
the id will always be stored as a string
- Parameters
job_id – the id assigned by the scheduler after submission
-
set_last_job_info
(last_job_info)[source]¶ Set the last job info.
- Parameters
last_job_info – a JobInfo object
-
set_option
(name, value)[source]¶ Set an option to the given value
- Parameters
name – the option name
value – the value to set
- Raises
ValueError for unknown option
- Raises
TypeError for values with invalid type
-
set_options
(options)[source]¶ Set the options for this CalcJobNode
- Parameters
options – dictionary of option and their values to set
-
set_remote_workdir
(remote_workdir)[source]¶ Set the absolute path to the working directory on the remote computer where the calculation is run.
- Parameters
remote_workdir – absolute filepath to the remote working directory
-
set_retrieve_list
(retrieve_list)[source]¶ Set the retrieve list.
This list of directives will instruct the daemon what files to retrieve after the calculation has completed. list or tuple of files or paths that should be retrieved by the daemon.
- Parameters
retrieve_list – list or tuple of with filepath directives
-
set_retrieve_singlefile_list
(retrieve_singlefile_list)[source]¶ Set the retrieve singlefile list.
The files will be stored as SinglefileData instances and added as output nodes to this calculation node. The format of a single file directive is a tuple or list of length 3 with the following entries:
the link label under which the file should be added
the SinglefileData class or sub class to use to store
the filepath relative to the remote working directory of the calculation
- Parameters
retrieve_singlefile_list – list or tuple of single file directives
Deprecated since version 1.0.0: Will be removed in v2.0.0. Use
set_retrieve_temporary_list()
instead.
-
set_retrieve_temporary_list
(retrieve_temporary_list)[source]¶ Set the retrieve temporary list.
The retrieve temporary list stores files that are retrieved after completion and made available during parsing and are deleted as soon as the parsing has been completed.
- Parameters
retrieve_temporary_list – list or tuple of with filepath directives
-
set_scheduler_state
(state)[source]¶ Set the scheduler state.
- Parameters
state – an instance of JobState
-
set_state
(state)[source]¶ Set the calculation active job state.
- Parameters
state – a string with the state from
aiida.common.datastructures.CalcJobState
.- Raise
ValueError if state is invalid
-
property
tools
¶ Return the calculation tools that are registered for the process type associated with this calculation.
If the entry point name stored in the process_type of the CalcJobNode has an accompanying entry point in the aiida.tools.calculations entry point category, it will attempt to load the entry point and instantiate it passing the node to the constructor. If the entry point does not exist, cannot be resolved or loaded, a warning will be logged and the base CalculationTools class will be instantiated and returned.
- Returns
CalculationTools instance
-
-
class
aiida.orm.nodes.process.
ProcessNode
(backend=None, user=None, computer=None, **kwargs)[source]¶ Bases:
aiida.orm.utils.mixins.Sealable
,aiida.orm.nodes.node.Node
Base class for all nodes representing the execution of a process
This class and its subclasses serve as proxies in the database, for actual Process instances being run. The Process instance in memory will leverage an instance of this class (the exact sub class depends on the sub class of Process) to persist important information of its state to the database. This serves as a way for the user to inspect the state of the Process during its execution as well as a permanent record of its execution in the provenance graph, after the execution has terminated.
-
CHECKPOINT_KEY
= 'checkpoints'¶
-
EXCEPTION_KEY
= 'exception'¶
-
EXIT_MESSAGE_KEY
= 'exit_message'¶
-
EXIT_STATUS_KEY
= 'exit_status'¶
-
PROCESS_LABEL_KEY
= 'process_label'¶
-
PROCESS_PAUSED_KEY
= 'paused'¶
-
PROCESS_STATE_KEY
= 'process_state'¶
-
PROCESS_STATUS_KEY
= 'process_status'¶
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.orm.nodes.process.process'¶
-
_abc_impl
= <_abc_data object>¶
-
_hash_ignored_inputs
= ['CALL_CALC', 'CALL_WORK']¶
-
_logger
= <Logger aiida.orm.nodes.process.process.ProcessNode (REPORT)>¶
-
_plugin_type_string
= 'process.process.ProcessNode.'¶
-
_query_type_string
= 'process.process.'¶
-
_unstorable_message
= 'only Data, WorkflowNode, CalculationNode or their subclasses can be stored'¶
-
_updatable_attributes
= ('sealed', 'paused', 'checkpoints', 'exception', 'exit_message', 'exit_status', 'process_label', 'process_state', 'process_status')¶
-
property
called
¶ Return a list of nodes that the process called
- Returns
list of process nodes called by this process
-
property
called_descendants
¶ Return a list of all nodes that have been called downstream of this process
This will recursively find all the called processes for this process and its children.
-
property
caller
¶ Return the process node that called this process node, or None if it does not have a caller
- Returns
process node that called this process node instance or None
-
property
checkpoint
¶ Return the checkpoint bundle set for the process
- Returns
checkpoint bundle if it exists, None otherwise
-
property
exception
¶ Return the exception of the process or None if the process is not excepted.
If the process is marked as excepted yet there is no exception attribute, an empty string will be returned.
- Returns
the exception message or None
-
property
exit_message
¶ Return the exit message of the process
- Returns
the exit message
-
property
exit_status
¶ Return the exit status of the process
- Returns
the exit status, an integer exit code or None
-
get_builder_restart
()[source]¶ Return a ProcessBuilder that is ready to relaunch the process that created this node.
The process class will be set based on the process_type of this node and the inputs of the builder will be prepopulated with the inputs registered for this node. This functionality is very useful if a process has completed and you want to relaunch it with slightly different inputs.
- Returns
~aiida.engine.processes.builder.ProcessBuilder instance
-
property
is_excepted
¶ Return whether the process has excepted
Excepted means that during execution of the process, an exception was raised that was not caught.
- Returns
True if during execution of the process an exception occurred, False otherwise
- Return type
-
property
is_failed
¶ Return whether the process has failed
Failed means that the process terminated nominally but it had a non-zero exit status.
- Returns
True if the process has failed, False otherwise
- Return type
-
property
is_finished
¶ Return whether the process has finished
Finished means that the process reached a terminal state nominally. Note that this does not necessarily mean successfully, but there were no exceptions and it was not killed.
- Returns
True if the process has finished, False otherwise
- Return type
-
property
is_finished_ok
¶ Return whether the process has finished successfully
Finished successfully means that it terminated nominally and had a zero exit status.
- Returns
True if the process has finished successfully, False otherwise
- Return type
-
property
is_killed
¶ Return whether the process was killed
Killed means the process was killed directly by the user or by the calling process being killed.
- Returns
True if the process was killed, False otherwise
- Return type
-
property
is_terminated
¶ Return whether the process has terminated
Terminated means that the process has reached any terminal state.
- Returns
True if the process has terminated, False otherwise
- Return type
-
property
is_valid_cache
¶ Return whether the node is valid for caching
- Returns
True if this process node is valid to be used for caching, False otherwise
-
property
logger
¶ Get the logger of the Calculation object, so that it also logs to the DB.
- Returns
LoggerAdapter object, that works like a logger, but also has the ‘extra’ embedded
-
pause
()[source]¶ Mark the process as paused by setting the corresponding attribute.
This serves only to reflect that the corresponding Process is paused and so this method should not be called by anyone but the Process instance itself.
-
property
paused
¶ Return whether the process is paused
- Returns
True if the Calculation is marked as paused, False otherwise
-
property
process_class
¶ Return the process class that was used to create this node.
- Returns
Process class
- Raises
ValueError – if no process type is defined, it is an invalid process type string or cannot be resolved to load the corresponding class
-
property
process_label
¶ Return the process label
- Returns
the process label
-
property
process_state
¶ Return the process state
- Returns
the process state instance of ProcessState enum
-
property
process_status
¶ Return the process status
The process status is a generic status message e.g. the reason it might be paused or when it is being killed
- Returns
the process status
-
set_checkpoint
(checkpoint)[source]¶ Set the checkpoint bundle set for the process
- Parameters
state – string representation of the stepper state info
-
set_exception
(exception)[source]¶ Set the exception of the process
- Parameters
exception – the exception message
-
set_exit_message
(message)[source]¶ Set the exit message of the process, if None nothing will be done
- Parameters
message – a string message
-
set_exit_status
(status)[source]¶ Set the exit status of the process
- Parameters
state – an integer exit code or None, which will be interpreted as zero
-
set_process_state
(state)[source]¶ Set the process state
- Parameters
state – value or instance of ProcessState enum
-
set_process_status
(status)[source]¶ Set the process status
The process status is a generic status message e.g. the reason it might be paused or when it is being killed. If status is None, the corresponding attribute will be deleted.
- Parameters
status – string process status
-
set_process_type
(process_type_string)[source]¶ Set the process type string.
- Parameters
process_type – the process type string identifying the class using this process node as storage.
-
unpause
()[source]¶ Mark the process as unpaused by removing the corresponding attribute.
This serves only to reflect that the corresponding Process is unpaused and so this method should not be called by anyone but the Process instance itself.
-
validate_incoming
(source, link_type, link_label)[source]¶ Validate adding a link of the given type from a given node to ourself.
Adding an input link to a ProcessNode once it is stored is illegal because this should be taken care of by the engine in one go. If a link is being added after the node is stored, it is most likely not by the engine and it should not be allowed.
- Parameters
source – the node from which the link is coming
link_type – the link type
link_label – the link label
- Raises
TypeError – if source is not a Node instance or link_type is not a LinkType enum
ValueError – if the proposed link is invalid
-
-
class
aiida.orm.nodes.process.
WorkflowNode
(backend=None, user=None, computer=None, **kwargs)[source]¶ Bases:
aiida.orm.nodes.process.process.ProcessNode
Base class for all nodes representing the execution of a workflow process.
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.orm.nodes.process.workflow.workflow'¶
-
_abc_impl
= <_abc_data object>¶
-
_logger
= <Logger aiida.orm.nodes.process.workflow.workflow.WorkflowNode (REPORT)>¶
-
_plugin_type_string
= 'process.workflow.workflow.WorkflowNode.'¶
-
_query_type_string
= 'process.workflow.workflow.'¶
-
_storable
= True¶
-
_unstorable_message
= 'storing for this node has been disabled'¶
-
property
inputs
¶ Return an instance of NodeLinksManager to manage incoming INPUT_WORK links
The returned Manager allows you to easily explore the nodes connected to this node via an incoming INPUT_WORK link. The incoming nodes are reachable by their link labels which are attributes of the manager.
- Returns
NodeLinksManager
-
property
outputs
¶ Return an instance of NodeLinksManager to manage outgoing RETURN links
The returned Manager allows you to easily explore the nodes connected to this node via an outgoing RETURN link. The outgoing nodes are reachable by their link labels which are attributes of the manager.
- Returns
NodeLinksManager
-
validate_outgoing
(target, link_type, link_label)[source]¶ Validate adding a link of the given type from ourself to a given node.
A workflow cannot ‘create’ Data, so if we receive an outgoing link to an unstored Data node, that means the user created a Data node within our function body and tries to attach it as an output. This is strictly forbidden and can cause provenance to be lost.
- Parameters
target – the node to which the link is going
link_type – the link type
link_label – the link label
- Raises
TypeError – if target is not a Node instance or link_type is not a LinkType enum
ValueError – if the proposed link is invalid
-
-
class
aiida.orm.nodes.process.
WorkChainNode
(backend=None, user=None, computer=None, **kwargs)[source]¶ Bases:
aiida.orm.nodes.process.workflow.workflow.WorkflowNode
ORM class for all nodes representing the execution of a WorkChain.
-
STEPPER_STATE_INFO_KEY
= 'stepper_state_info'¶
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.orm.nodes.process.workflow.workchain'¶
-
_abc_impl
= <_abc_data object>¶
-
_logger
= <Logger aiida.orm.nodes.process.workflow.workchain.WorkChainNode (REPORT)>¶
-
_plugin_type_string
= 'process.workflow.workchain.WorkChainNode.'¶
-
_query_type_string
= 'process.workflow.workchain.'¶
-
_updatable_attributes
= ('sealed', 'paused', 'checkpoints', 'exception', 'exit_message', 'exit_status', 'process_label', 'process_state', 'process_status', 'stepper_state_info')¶
-
set_stepper_state_info
(stepper_state_info)[source]¶ Set the stepper state info
- Parameters
state – string representation of the stepper state info
-
property
stepper_state_info
¶ Return the stepper state info
- Returns
string representation of the stepper state info
-
-
class
aiida.orm.nodes.process.
WorkFunctionNode
(backend=None, user=None, computer=None, **kwargs)[source]¶ Bases:
aiida.orm.utils.mixins.FunctionCalculationMixin
,aiida.orm.nodes.process.workflow.workflow.WorkflowNode
ORM class for all nodes representing the execution of a workfunction.
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.orm.nodes.process.workflow.workfunction'¶
-
_abc_impl
= <_abc_data object>¶
-
_logger
= <Logger aiida.orm.nodes.process.workflow.workfunction.WorkFunctionNode (REPORT)>¶
-
_plugin_type_string
= 'process.workflow.workfunction.WorkFunctionNode.'¶
-
_query_type_string
= 'process.workflow.workfunction.'¶
-
validate_outgoing
(target, link_type, link_label)[source]¶ Validate adding a link of the given type from ourself to a given node.
A workfunction cannot create Data, so if we receive an outgoing RETURN link to an unstored Data node, that means the user created a Data node within our function body and is trying to return it. This use case should be reserved for @calcfunctions, as they can have CREATE links.
- Parameters
target – the node to which the link is going
link_type – the link type
link_label – the link label
- Raises
TypeError – if target is not a Node instance or link_type is not a LinkType enum
ValueError – if the proposed link is invalid
-
Subpackages¶
Submodules¶
Module with Node sub class for processes.
-
class
aiida.orm.nodes.process.process.
ProcessNode
(backend=None, user=None, computer=None, **kwargs)[source]¶ Bases:
aiida.orm.utils.mixins.Sealable
,aiida.orm.nodes.node.Node
Base class for all nodes representing the execution of a process
This class and its subclasses serve as proxies in the database, for actual Process instances being run. The Process instance in memory will leverage an instance of this class (the exact sub class depends on the sub class of Process) to persist important information of its state to the database. This serves as a way for the user to inspect the state of the Process during its execution as well as a permanent record of its execution in the provenance graph, after the execution has terminated.
-
CHECKPOINT_KEY
= 'checkpoints'¶
-
EXCEPTION_KEY
= 'exception'¶
-
EXIT_MESSAGE_KEY
= 'exit_message'¶
-
EXIT_STATUS_KEY
= 'exit_status'¶
-
PROCESS_LABEL_KEY
= 'process_label'¶
-
PROCESS_PAUSED_KEY
= 'paused'¶
-
PROCESS_STATE_KEY
= 'process_state'¶
-
PROCESS_STATUS_KEY
= 'process_status'¶
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__abstractmethods__
= frozenset({})¶
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__module__
= 'aiida.orm.nodes.process.process'¶
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_abc_impl
= <_abc_data object>¶
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_hash_ignored_inputs
= ['CALL_CALC', 'CALL_WORK']¶
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_logger
= <Logger aiida.orm.nodes.process.process.ProcessNode (REPORT)>¶
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_plugin_type_string
= 'process.process.ProcessNode.'¶
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_query_type_string
= 'process.process.'¶
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_unstorable_message
= 'only Data, WorkflowNode, CalculationNode or their subclasses can be stored'¶
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_updatable_attributes
= ('sealed', 'paused', 'checkpoints', 'exception', 'exit_message', 'exit_status', 'process_label', 'process_state', 'process_status')¶
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property
called
¶ Return a list of nodes that the process called
- Returns
list of process nodes called by this process
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property
called_descendants
¶ Return a list of all nodes that have been called downstream of this process
This will recursively find all the called processes for this process and its children.
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property
caller
¶ Return the process node that called this process node, or None if it does not have a caller
- Returns
process node that called this process node instance or None
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property
checkpoint
¶ Return the checkpoint bundle set for the process
- Returns
checkpoint bundle if it exists, None otherwise
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property
exception
¶ Return the exception of the process or None if the process is not excepted.
If the process is marked as excepted yet there is no exception attribute, an empty string will be returned.
- Returns
the exception message or None
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property
exit_message
¶ Return the exit message of the process
- Returns
the exit message
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property
exit_status
¶ Return the exit status of the process
- Returns
the exit status, an integer exit code or None
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get_builder_restart
()[source]¶ Return a ProcessBuilder that is ready to relaunch the process that created this node.
The process class will be set based on the process_type of this node and the inputs of the builder will be prepopulated with the inputs registered for this node. This functionality is very useful if a process has completed and you want to relaunch it with slightly different inputs.
- Returns
~aiida.engine.processes.builder.ProcessBuilder instance
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property
is_excepted
¶ Return whether the process has excepted
Excepted means that during execution of the process, an exception was raised that was not caught.
- Returns
True if during execution of the process an exception occurred, False otherwise
- Return type
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property
is_failed
¶ Return whether the process has failed
Failed means that the process terminated nominally but it had a non-zero exit status.
- Returns
True if the process has failed, False otherwise
- Return type
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property
is_finished
¶ Return whether the process has finished
Finished means that the process reached a terminal state nominally. Note that this does not necessarily mean successfully, but there were no exceptions and it was not killed.
- Returns
True if the process has finished, False otherwise
- Return type
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property
is_finished_ok
¶ Return whether the process has finished successfully
Finished successfully means that it terminated nominally and had a zero exit status.
- Returns
True if the process has finished successfully, False otherwise
- Return type
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property
is_killed
¶ Return whether the process was killed
Killed means the process was killed directly by the user or by the calling process being killed.
- Returns
True if the process was killed, False otherwise
- Return type
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property
is_terminated
¶ Return whether the process has terminated
Terminated means that the process has reached any terminal state.
- Returns
True if the process has terminated, False otherwise
- Return type
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property
is_valid_cache
¶ Return whether the node is valid for caching
- Returns
True if this process node is valid to be used for caching, False otherwise
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property
logger
¶ Get the logger of the Calculation object, so that it also logs to the DB.
- Returns
LoggerAdapter object, that works like a logger, but also has the ‘extra’ embedded
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pause
()[source]¶ Mark the process as paused by setting the corresponding attribute.
This serves only to reflect that the corresponding Process is paused and so this method should not be called by anyone but the Process instance itself.
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property
paused
¶ Return whether the process is paused
- Returns
True if the Calculation is marked as paused, False otherwise
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property
process_class
¶ Return the process class that was used to create this node.
- Returns
Process class
- Raises
ValueError – if no process type is defined, it is an invalid process type string or cannot be resolved to load the corresponding class
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property
process_label
¶ Return the process label
- Returns
the process label
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property
process_state
¶ Return the process state
- Returns
the process state instance of ProcessState enum
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property
process_status
¶ Return the process status
The process status is a generic status message e.g. the reason it might be paused or when it is being killed
- Returns
the process status
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set_checkpoint
(checkpoint)[source]¶ Set the checkpoint bundle set for the process
- Parameters
state – string representation of the stepper state info
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set_exception
(exception)[source]¶ Set the exception of the process
- Parameters
exception – the exception message
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set_exit_message
(message)[source]¶ Set the exit message of the process, if None nothing will be done
- Parameters
message – a string message
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set_exit_status
(status)[source]¶ Set the exit status of the process
- Parameters
state – an integer exit code or None, which will be interpreted as zero
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set_process_state
(state)[source]¶ Set the process state
- Parameters
state – value or instance of ProcessState enum
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set_process_status
(status)[source]¶ Set the process status
The process status is a generic status message e.g. the reason it might be paused or when it is being killed. If status is None, the corresponding attribute will be deleted.
- Parameters
status – string process status
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set_process_type
(process_type_string)[source]¶ Set the process type string.
- Parameters
process_type – the process type string identifying the class using this process node as storage.
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unpause
()[source]¶ Mark the process as unpaused by removing the corresponding attribute.
This serves only to reflect that the corresponding Process is unpaused and so this method should not be called by anyone but the Process instance itself.
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validate_incoming
(source, link_type, link_label)[source]¶ Validate adding a link of the given type from a given node to ourself.
Adding an input link to a ProcessNode once it is stored is illegal because this should be taken care of by the engine in one go. If a link is being added after the node is stored, it is most likely not by the engine and it should not be allowed.
- Parameters
source – the node from which the link is coming
link_type – the link type
link_label – the link label
- Raises
TypeError – if source is not a Node instance or link_type is not a LinkType enum
ValueError – if the proposed link is invalid
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